3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C9H16ClN3O — CID 71298861

IUPAC3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2(C)CCNCC2)n1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9;/h10H,3-6H2,1-2H3;1H
InChIKeyYCFLQSSSDRIGDJ-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.44
Rot. Bonds1

About 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 71298861) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID71298861
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2(C)CCNCC2)n1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9;/h10H,3-6H2,1-2H3;1H
InChIKeyYCFLQSSSDRIGDJ-UHFFFAOYSA-N
XLogP1.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 71298861) is 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2(C)CCNCC2)n1.Cl.
What is the InChIKey of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YCFLQSSSDRIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9;/h10H,3-6H2,1-2H3;1H.
What are the key properties of 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 71298861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).